ethyl 3-ethyl-2-oxidanylidene-4-(pyrrolidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-(pyrrolidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-4-(pyrrolidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-(1-pyrrolidinylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-4-(pyrrolidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-(pyrrolidinomethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H26F3N3O3 MolecularWeight: 425.44465

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CN3CCCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CN3CCCC3

InChI

InChI=1S/C21H26F3N3O3/c1-3-27-16(13-26-11-7-8-12-26)17(19(28)30-4-2)18(25-20(27)29)14-9-5-6-10-15(14)21(22,23)24/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3,(H,25,29)